1-cyanoethoxy-hydroxy-oxophosphanium

C3H5NO3P+ — CID 87539141

IUPAC1-cyanoethoxy-hydroxy-oxophosphanium
SMILESCC(C#N)O[P+](=O)O
InChIInChI=1S/C3H4NO3P/c1-3(2-4)7-8(5)6/h3H,1H3/p+1
InChIKeyZZJDVXOCDIRKTD-UHFFFAOYSA-O
MW134.05 g/mol
LogP0.56
Rot. Bonds2

About 1-cyanoethoxy-hydroxy-oxophosphanium

1-cyanoethoxy-hydroxy-oxophosphanium (PubChem CID 87539141) has the molecular formula C3H5NO3P+ and a molecular weight of 134.05 g/mol. Its IUPAC name is 1-cyanoethoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name1-cyanoethoxy-hydroxy-oxophosphanium
PubChem CID87539141
Molecular FormulaC3H5NO3P+
Molecular Weight134.05 g/mol
Exact Mass134.00
IUPAC Name1-cyanoethoxy-hydroxy-oxophosphanium
SMILESCC(C#N)O[P+](=O)O
InChIInChI=1S/C3H4NO3P/c1-3(2-4)7-8(5)6/h3H,1H3/p+1
InChIKeyZZJDVXOCDIRKTD-UHFFFAOYSA-O
XLogP0.56
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.05
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyanoethoxy-hydroxy-oxophosphanium?
The IUPAC name of 1-cyanoethoxy-hydroxy-oxophosphanium (CID 87539141) is 1-cyanoethoxy-hydroxy-oxophosphanium.
What is the SMILES notation for 1-cyanoethoxy-hydroxy-oxophosphanium?
The canonical SMILES for 1-cyanoethoxy-hydroxy-oxophosphanium is CC(C#N)O[P+](=O)O.
What is the InChIKey of 1-cyanoethoxy-hydroxy-oxophosphanium?
The InChIKey is ZZJDVXOCDIRKTD-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H4NO3P/c1-3(2-4)7-8(5)6/h3H,1H3/p+1.
What are the key properties of 1-cyanoethoxy-hydroxy-oxophosphanium?
1-cyanoethoxy-hydroxy-oxophosphanium has a molecular weight of 134.05 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyanoethoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 87539141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).